4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one

C16H24N2O — CID 141168834

IUPAC4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(CNCc2ccccc2)CC1=O
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-12-14(9-15(18)19)11-17-10-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeySRHAGDABKHTEFB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds4

About 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one

4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one (PubChem CID 141168834) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one
PubChem CID141168834
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(CNCc2ccccc2)CC1=O
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-12-14(9-15(18)19)11-17-10-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeySRHAGDABKHTEFB-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one?
The IUPAC name of 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one (CID 141168834) is 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one is CC(C)(C)N1CC(CNCc2ccccc2)CC1=O.
What is the InChIKey of 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one?
The InChIKey is SRHAGDABKHTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)18-12-14(9-15(18)19)11-17-10-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one?
4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 141168834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).